SCHEMBL4463271

SCHEMBL4463271

O=C(O)C(Cc1ccccc1)N1CCNCC1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.68
SLC6A4 P31645 7/20 0.58
SLC6A2 P23975 4/20 0.58
SLC6A3 Q01959 2/20 0.55
HSD17B10 Q99714 2/20 0.54
NPSR1 Q6W5P4 1/20 0.54
ALDH1A1 P00352 2/20 0.54
PKM P14618 1/20 0.54
MAPT P10636 2/20 0.51
KDM4E B2RXH2 1/20 0.51
MEN1 O00255 1/20 0.51
POLB P06746 1/20 0.51
CYP2C9 P11712 1/20 0.51
CYP2C19 P33261 1/20 0.51
PTPN7 P35236 1/20 0.51
RECQL P46063 1/20 0.51
BLM P54132 1/20 0.51
KMT2A Q03164 1/20 0.51
TDP1 Q9NUW8 1/20 0.51
L3MBTL1 Q9Y468 1/20 0.51

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL6421876 0.97 LMNA (0.64) LMNASLC6A4SLC6A2SLC6A3HSD17B10
SCHEMBL2905656 0.89 LMNA (0.56) LMNASLC6A4SLC6A2SLC6A3HSD17B10
SCHEMBL11251072 0.88 SLC6A4 (0.55) LMNASLC6A4SLC6A2SLC6A3HSD17B10
SCHEMBL8234489 0.86 LMNA (0.51) LMNASLC6A4SLC6A2SLC6A3ALDH1A1
SCHEMBL4039568 0.84 SLC6A4 (0.51) LMNASLC6A4SLC6A2SLC6A3HSD17B10
SCHEMBL9277493 0.83 LMNA (0.71) LMNAHSD17B10NPSR1ALDH1A1PKM
SCHEMBL4143905 0.83 LMNA (0.71) LMNASLC6A2SLC6A3HSD17B10NPSR1
SCHEMBL9309772 0.83 SLC6A4 (0.50) LMNASLC6A4SLC6A2SLC6A3HSD17B10
Hydrochloric Acid SCHEMBL9096753 0.82 LMNA (0.69) LMNASLC6A2SLC6A3HSD17B10NPSR1
SCHEMBL9164261 0.81 TACR1 (0.53) LMNASLC6A4SLC6A2SLC6A3

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7544687-B2 Substituted α-piperazinyl phenylpropionic acid derivatives as hPPAR α and/or hPPAR γ agonists BEIJING MOLECULE SCIENCE AND TECHNOLOGY CO., LTD (CN) 2009-06-09 US disclosed
US-7544687-B2 Substituted α-piperazinyl phenylpropionic acid derivatives as hPPAR α and/or hPPAR γ agonists BEIJING MOLECULE SCIENCE AND TECHNOLOGY CO., LTD (CN) 2009-06-09 US disclosed
US-20070259883-A1 Substitued A-Piperazingly Phenylpropionic Acid Derivatives As Hppar Alpha And/Or Hppar Gamma Agonists BEIJING MOLECULE SCIENCE AND TECHNOLOGY CO., LTD. (CN) 2007-11-08 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20070259883-A1 Substitued A-Piperazingly Phenylpropionic Acid Derivatives As Hppar Alpha And/Or Hppar Gamma Agonists GPR119, PPARG, PPARA LMNA 1955/4885SLC6A4 1920/4885SLC6A2 2638/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.